Computational Scientist - Advanced Cheminformatics | Computational Scientist (alle Geschlechter) - Advanced Cheminformatics

Bayer AG

Berlin, Berlin, Deutschland
Published Oct 14, 2025
Full-time
Fixed-term

Job Summary

This role seeks a creative and collaborative Computational Scientist specializing in Cheminformatics to join the Scientific Insight Solutions Team, accelerating new drug discovery. The core responsibility involves developing, evaluating, and implementing multi-task machine learning models to predict various physicochemical properties of small molecules, crucial for early drug research. The scientist will design and execute experiments to optimize model configurations and data selection strategies, working closely with experimentalists to understand data context and assay parameters. Key qualifications include a PhD in Cheminformatics or related fields, deep expertise in modern Machine Learning (ideally Multi-Task Deep Learning), and professional experience in developing predictive ML methods. This position offers the opportunity to contribute significantly to innovative drug development, requiring strong analytical skills, fluent English, and cross-functional collaboration across R&D areas.

Required Skills

Education

PhD in (Bio-)Chemistry, Pharmaceutical Sciences, Cheminformatics, or related disciplines at the intersection of medicinal/pharmaceutical chemistry and statistics/informatics

Experience

  • Several years of professional experience in developing and evaluating/validating machine learning methods for predicting physicochemical, biochemical, or chemical properties
  • Experience in an industrial environment (preferred)
  • Experience in data manipulation and visualization

Languages

English (Fluent)

Additional

  • 12-month fixed-term contract; Position located in Berlin or Wuppertal